N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide

C11H15BrN2O2 — CID 71921848

IUPACN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide
SMILESCn1cc(NC(=O)C(C)(C)C)cc(Br)c1=O
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)10(16)13-7-5-8(12)9(15)14(4)6-7/h5-6H,1-4H3,(H,13,16)
InChIKeyASLDJQVNPJIVTH-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.13
Rot. Bonds1

About N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide

N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 71921848) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide
PubChem CID71921848
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide
SMILESCn1cc(NC(=O)C(C)(C)C)cc(Br)c1=O
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)10(16)13-7-5-8(12)9(15)14(4)6-7/h5-6H,1-4H3,(H,13,16)
InChIKeyASLDJQVNPJIVTH-UHFFFAOYSA-N
XLogP2.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide (CID 71921848) is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide is Cn1cc(NC(=O)C(C)(C)C)cc(Br)c1=O.
What is the InChIKey of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is ASLDJQVNPJIVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2,3)10(16)13-7-5-8(12)9(15)14(4)6-7/h5-6H,1-4H3,(H,13,16).
What are the key properties of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide?
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 287.16 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 71921848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).